Enables chemical reaction predictions (retrosynthesis, product, reagents), molecule validation, and property calculation through the Model Context Protocol, integrating with AI assistants.
Renders interactive 2D molecular structure diagrams from SMILES notation and computes molecular properties like molecular weight, LogP, and TPSA, directly in the chat.
Enables natural language interaction with computational chemistry tools including molecule building, electronic structure calculations, geometry optimization, vibrational spectroscopy, and molecular dynamics, powered by RDKit, PySCF, and ASE.
Enables molecular visualization and analysis from SMILES strings using multiple rendering approaches (RDKit, NetworkX, Plotly, matplotlib), providing detailed molecular properties, validation, and batch processing capabilities for chemical structures.
ChemMCP is an easy-to-use and extensible chemistry toolkit for LLMs and AI assistants, enabling molecular analysis, property prediction, and reaction synthesis tasks without domain-specific training.
MCP server that connects AI assistants to a live Ketcher window, the open-source web-based chemical structure editor. Draw, edit, and organize structures directly in the canvas you have open.